Results 291 to 300 of about 589,709 (328)

The Computer System G R A P H: A Useful Tool in Chemical Graph Theory

, 1986
D. Cvetkovic, I. Gutman
semanticscholar   +1 more source

Optimizing safety barrier allocation to prevent domino effects in large-scale chemical clusters using graph theory and optimization algorithms

Chemical engineering research & design
Muchen Zhang, Zelin Li, Shuya Hou, Siyu Deng, Genserik Reniers, Ming Yang, Bin Zhang   +6 more
semanticscholar   +1 more source

Poly(ADP-Ribose) polymerase (PARP) inhibitors: Exploiting a synthetic lethal strategy in the clinic

Ca-A Cancer Journal for Clinicians, 2011
Timothy A Yap, Johann Sebastian de Bono
exaly  

Chemical Graph Theory

2008
openaire   +1 more source

Computational predictions of energy materials using density functional theory

Nature Reviews Materials, 2016
Anubhav Jain, Yongwoo Shin, Kristin A Persson   +2 more
exaly  

Chemical graph theory: Modeling the thermodynamic properties of molecules

, 1980
O. Mekenyan, D. Bonchev, N. Trinajstic
semanticscholar   +1 more source

A graph theory method for determining the basis of homodesmic reactions for acyclic chemical compounds

Doklady. Physical chemistry, 2017
S. Khursan, A. Ismagilova, S. Spivak
semanticscholar   +1 more source

Theory-guided design of catalytic materials using scaling relationships and reactivity descriptors

Nature Reviews Materials, 2019
Zhi-Jian Zhao, Sihang Liu, Shenjun Zha
exaly  

Expanded Theory of H- and J-Molecular Aggregates: The Effects of Vibronic Coupling and Intermolecular Charge Transfer

Chemical Reviews, 2018
Nicholas Hestand, Frank C Spano
exaly  

Social evolution theory for microorganisms

Nature Reviews Microbiology, 2006
Stuart West, Ashleigh S Griffin, Andy Gardner   +2 more
exaly